N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine

C14H20N2O2 — CID 133311700

IUPACN-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine
SMILESCCCCC(COC)Nc1nc2ccccc2o1
InChIInChI=1S/C14H20N2O2/c1-3-4-7-11(10-17-2)15-14-16-12-8-5-6-9-13(12)18-14/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,15,16)
InChIKeyAWYVGRNDPISXSO-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.44
Rot. Bonds7

About N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine

N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 133311700) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine
PubChem CID133311700
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine
SMILESCCCCC(COC)Nc1nc2ccccc2o1
InChIInChI=1S/C14H20N2O2/c1-3-4-7-11(10-17-2)15-14-16-12-8-5-6-9-13(12)18-14/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,15,16)
InChIKeyAWYVGRNDPISXSO-UHFFFAOYSA-N
XLogP3.44
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine (CID 133311700) is N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine is CCCCC(COC)Nc1nc2ccccc2o1.
What is the InChIKey of N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is AWYVGRNDPISXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-7-11(10-17-2)15-14-16-12-8-5-6-9-13(12)18-14/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,15,16).
What are the key properties of N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine?
N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 248.33 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133311700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).